2-(cyclopropylmethyl)-3-hydroxypyran-4-one

C9H10O3 — CID 84652322

IUPAC2-(cyclopropylmethyl)-3-hydroxypyran-4-one
SMILESO=c1ccoc(CC2CC2)c1O
InChIInChI=1S/C9H10O3/c10-7-3-4-12-8(9(7)11)5-6-1-2-6/h3-4,6,11H,1-2,5H2
InChIKeyDHGCPGXSMPURDW-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.30
Rot. Bonds2

About 2-(cyclopropylmethyl)-3-hydroxypyran-4-one

2-(cyclopropylmethyl)-3-hydroxypyran-4-one (PubChem CID 84652322) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-hydroxypyran-4-one
PubChem CID84652322
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(cyclopropylmethyl)-3-hydroxypyran-4-one
SMILESO=c1ccoc(CC2CC2)c1O
InChIInChI=1S/C9H10O3/c10-7-3-4-12-8(9(7)11)5-6-1-2-6/h3-4,6,11H,1-2,5H2
InChIKeyDHGCPGXSMPURDW-UHFFFAOYSA-N
XLogP1.30
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-hydroxypyran-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-3-hydroxypyran-4-one (CID 84652322) is 2-(cyclopropylmethyl)-3-hydroxypyran-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-hydroxypyran-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-3-hydroxypyran-4-one is O=c1ccoc(CC2CC2)c1O.
What is the InChIKey of 2-(cyclopropylmethyl)-3-hydroxypyran-4-one?
The InChIKey is DHGCPGXSMPURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-3-4-12-8(9(7)11)5-6-1-2-6/h3-4,6,11H,1-2,5H2.
What are the key properties of 2-(cyclopropylmethyl)-3-hydroxypyran-4-one?
2-(cyclopropylmethyl)-3-hydroxypyran-4-one has a molecular weight of 166.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-hydroxypyran-4-one is sourced from PubChem (CID 84652322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).